#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v9x s SER 2 N 0.00 1.17 -0.04 1.61 0.01 -1.26 -5.14 113.70 110.05 1v9x s SER 2 Ca 0.00 0.01 0.06 0.00 1.31 0.00 0.00 55.95 57.33 1v9x s SER 2 Cb 0.00 -0.25 -0.02 0.00 0.21 0.00 0.00 66.02 65.96 1v9x s SER 2 CO 0.00 -0.21 -0.22 -0.44 0.41 0.00 0.00 173.24 172.79 1v9x s SER 3 N 1.92 3.40 0.00 2.44 0.01 -1.26 -5.05 113.70 115.16 1v9x s SER 3 Ca 0.03 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 56.90 1v9x s SER 3 Cb -0.12 -0.62 0.00 0.00 0.21 0.00 0.00 66.02 65.49 1v9x s SER 3 CO -0.04 0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.54 1v9x n GLY 4 N 2.51 0.73 3.27 3.44 0.00 -1.26 -5.05 105.19 108.83 1v9x n GLY 4 Ca -0.17 -2.07 -0.33 0.00 0.00 0.00 0.00 46.02 43.45 1v9x n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1v9x s SER 5 N -4.00 3.60 -0.06 1.61 1.04 -1.26 -5.11 113.70 109.52 1v9x s SER 5 Ca 0.00 -0.47 -0.03 0.00 0.48 0.00 0.00 55.95 55.93 1v9x s SER 5 Cb 0.00 -1.54 0.03 0.00 0.10 0.00 0.00 66.02 64.61 1v9x s SER 5 CO 0.00 0.10 0.14 -0.55 0.98 0.00 0.00 173.24 173.91 1v9x s SER 6 N 0.69 -0.11 -0.21 7.02 0.15 -1.26 -4.89 113.70 115.10 1v9x s SER 6 Ca -0.08 0.28 -0.01 0.00 0.70 0.00 0.00 55.95 56.84 1v9x s SER 6 Cb -0.16 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 1v9x s SER 6 CO 0.02 -0.13 0.18 0.61 1.20 0.00 0.00 173.24 175.12 1v9x n GLY 7 N 3.98 0.61 3.92 9.45 0.00 -1.26 -5.06 105.19 116.84 1v9x n GLY 7 Ca -0.24 -0.49 -0.20 0.00 0.00 0.00 0.00 46.02 45.09 1v9x n GLY 7 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1v9x s HIS 8 N -3.05 3.02 0.53 1.61 5.65 -1.26 -5.09 115.29 116.70 1v9x s HIS 8 Ca 0.07 -0.26 -0.21 0.00 0.25 0.00 0.00 55.06 54.91 1v9x s HIS 8 Cb -0.03 -1.90 -0.05 0.00 -1.18 0.00 0.00 32.58 29.42 1v9x s HIS 8 CO 0.11 0.09 1.25 0.15 -0.65 0.00 0.00 174.74 175.70 1v9x s LYS 9 N -4.09 3.29 0.12 2.88 1.02 -1.26 -4.95 119.74 116.76 1v9x s LYS 9 Ca 0.43 1.97 -0.12 0.00 0.02 0.00 0.00 55.97 58.27 1v9x s LYS 9 Cb -0.08 -2.21 -0.06 0.00 -0.52 0.00 0.00 37.83 34.96 1v9x s LYS 9 CO 0.29 -0.99 1.45 -1.00 -0.92 0.00 0.00 175.35 174.18 1v9x h PRO 10 N 1.49 0.85 -6.47 -1.68 0.13 -1.87 -3.44 132.00 121.00 1v9x h PRO 10 Ca -0.50 -0.45 -0.65 0.00 -0.87 0.00 0.00 66.00 63.53 1v9x h PRO 10 Cb 1.28 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.29 1v9x h PRO 10 CO 0.58 1.09 -0.71 -1.58 -0.23 0.00 0.00 178.00 177.14 1v9x s TRP 11 N -4.39 2.81 0.10 1.56 0.52 -1.19 0.26 118.94 118.63 1v9x s TRP 11 Ca -0.12 -0.12 0.09 0.00 0.02 0.00 0.00 56.10 55.97 1v9x s TRP 11 Cb 0.10 -1.45 -0.04 0.00 -1.15 0.00 0.00 33.47 30.94 1v9x s TRP 11 CO 0.86 0.45 -0.22 -0.98 0.02 0.00 0.00 176.95 177.08 1v9x s ARG 12 N -2.34 1.19 -0.13 4.98 1.70 -0.73 -0.22 118.95 123.41 1v9x s ARG 12 Ca 0.23 -1.19 -0.01 0.00 -0.47 0.00 0.00 55.73 54.29 1v9x s ARG 12 Cb -0.11 -1.50 0.04 0.00 -0.57 0.00 0.00 34.95 32.81 1v9x s ARG 12 CO 0.16 0.35 -0.02 0.00 -1.08 0.00 0.00 175.30 174.71 1v9x s ALA 13 N -1.12 1.08 -0.14 7.88 0.00 0.30 -2.60 121.76 127.16 1v9x s ALA 13 Ca 0.08 -0.50 -0.30 0.00 0.00 0.00 0.00 51.96 51.25 1v9x s ALA 13 Cb -0.10 -0.96 0.10 0.00 0.00 0.00 0.00 23.12 22.16 1v9x s ALA 13 CO 0.04 -0.67 0.85 -1.83 0.00 0.00 0.00 175.76 174.15 1v9x s GLU 14 N 1.81 0.79 -0.01 0.00 -1.05 -1.26 -4.11 118.70 114.88 1v9x s GLU 14 Ca 0.03 0.31 -0.30 0.00 -0.15 0.00 0.00 54.97 54.85 1v9x s GLU 14 Cb -0.14 0.38 -0.04 0.00 -0.44 0.00 0.00 34.13 33.89 1v9x s GLU 14 CO -0.07 -0.22 1.16 0.71 0.95 0.00 0.00 175.26 177.78 1v9x s TYR 15 N -0.89 3.35 0.65 4.83 1.51 -1.26 -3.71 117.35 121.84 1v9x s TYR 15 Ca -0.05 1.33 -0.17 0.00 -1.01 0.00 0.00 57.07 57.17 1v9x s TYR 15 Cb -0.01 -3.37 -0.04 0.00 -0.11 0.00 0.00 41.96 38.43 1v9x s TYR 15 CO 0.04 -1.05 0.75 0.00 -1.11 0.00 0.00 175.55 174.18 1v9x n ALA 16 N 4.60 -0.62 -0.07 3.71 0.00 -0.59 -4.72 120.51 122.81 1v9x n ALA 16 Ca 0.09 -0.10 -0.08 0.00 0.00 0.00 0.00 53.44 53.35 1v9x n ALA 16 Cb 0.47 -1.98 -0.10 0.00 0.00 0.00 0.00 19.45 17.84 1v9x n ALA 16 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1v9x n LYS 17 N -0.88 1.37 -4.06 0.00 5.02 -1.26 -0.75 118.16 117.60 1v9x n LYS 17 Ca 0.12 0.02 -0.09 0.00 -2.02 0.00 0.00 58.31 56.35 1v9x n LYS 17 Cb 0.48 -1.36 -0.11 0.00 -0.02 0.00 0.00 35.03 34.03 1v9x n LYS 17 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1v9x s SER 18 N -5.00 0.51 -0.23 4.39 0.15 -1.26 -4.66 113.70 107.61 1v9x s SER 18 Ca -0.12 -0.77 -0.01 0.00 0.70 0.00 0.00 55.95 55.76 1v9x s SER 18 Cb 0.05 0.13 0.16 0.00 -1.71 0.00 0.00 66.02 64.65 1v9x s SER 18 CO 0.53 -0.43 1.99 -1.20 1.20 0.00 0.00 173.24 175.34 1v9x n SER 19 N 0.79 6.09 -0.01 5.45 7.64 -1.26 -4.05 113.62 128.27 1v9x n SER 19 Ca -0.18 -2.88 -0.21 0.00 1.01 0.00 0.00 58.87 56.61 1v9x n SER 19 Cb 0.58 -1.07 -0.14 0.00 -1.01 0.00 0.00 64.21 62.58 1v9x n SER 19 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1v9x n ARG 20 N 0.64 0.74 -2.44 1.43 5.12 -1.26 -4.73 116.66 116.16 1v9x n ARG 20 Ca 0.22 0.25 -0.38 0.00 -1.93 0.00 0.00 57.85 56.00 1v9x n ARG 20 Cb 0.56 -1.69 -0.03 0.00 -1.16 0.00 0.00 32.46 30.14 1v9x n ARG 20 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1v9x s SER 21 N -6.95 6.83 -0.04 0.55 1.04 -1.26 -4.93 113.70 108.95 1v9x s SER 21 Ca -0.24 2.21 0.05 0.00 0.48 0.00 0.00 55.95 58.45 1v9x s SER 21 Cb 0.07 -2.61 -0.01 0.00 0.10 0.00 0.00 66.02 63.58 1v9x s SER 21 CO 0.75 -0.45 -0.17 -0.44 0.98 0.00 0.00 173.24 173.91 1v9x s SER 22 N -1.21 2.11 0.93 7.02 0.01 -1.26 -0.98 113.70 120.31 1v9x s SER 22 Ca 0.53 -0.34 -0.10 0.00 1.31 0.00 0.00 55.95 57.35 1v9x s SER 22 Cb -0.28 -0.50 0.14 0.00 0.21 0.00 0.00 66.02 65.59 1v9x s SER 22 CO 0.35 0.17 1.05 0.00 0.41 0.00 0.00 173.24 175.22 1v9x n LYS 24 N -3.95 1.39 -0.04 0.00 4.76 -1.24 -3.10 118.16 115.98 1v9x n LYS 24 Ca 0.11 0.03 -0.11 0.00 -2.87 0.00 0.00 58.31 55.47 1v9x n LYS 24 Cb 0.52 -1.30 -0.06 0.00 -1.84 0.00 0.00 35.03 32.36 1v9x n LYS 24 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1v9x h THR 25 N 0.00 1.18 0.00 -0.18 2.02 -1.93 -3.26 112.91 110.74 1v9x h THR 25 Ca -0.32 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.29 1v9x h THR 25 Cb 1.63 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 1v9x h THR 25 CO -0.01 0.17 -1.66 0.00 0.37 0.00 0.00 175.52 174.39 1v9x n LYS 27 N -2.01 -4.73 -4.69 0.00 4.76 -1.18 -5.04 118.16 105.28 1v9x n LYS 27 Ca -0.02 0.55 -0.30 0.00 -2.87 0.00 0.00 58.31 55.67 1v9x n LYS 27 Cb 0.48 -4.70 -0.08 0.00 -1.84 0.00 0.00 35.03 28.88 1v9x n LYS 27 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1v9x s SER 28 N -3.57 3.81 0.04 4.39 0.01 -1.22 -4.87 113.70 112.28 1v9x s SER 28 Ca 0.18 -1.59 -0.19 0.00 1.31 0.00 0.00 55.95 55.65 1v9x s SER 28 Cb -0.08 0.32 -0.06 0.00 0.21 0.00 0.00 66.02 66.41 1v9x s SER 28 CO 0.47 -0.78 0.56 -0.69 0.41 0.00 0.00 173.24 173.21 1v9x s VAL 29 N -2.91 4.83 -0.81 3.43 1.01 -1.26 0.16 120.40 124.86 1v9x s VAL 29 Ca 0.15 1.17 -0.11 0.00 0.00 0.00 0.00 61.98 63.20 1v9x s VAL 29 Cb 0.04 -3.88 0.21 0.00 0.00 0.00 0.00 36.38 32.74 1v9x s VAL 29 CO 0.08 0.51 0.72 -0.63 0.00 0.00 0.00 175.10 175.78 1v9x s ILE 30 N -0.78 5.19 0.65 2.22 1.01 -0.16 -4.82 121.20 124.51 1v9x s ILE 30 Ca 0.29 -2.69 -0.17 0.00 0.00 0.00 0.00 60.65 58.07 1v9x s ILE 30 Cb -0.19 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.03 1v9x s ILE 30 CO 0.18 -1.01 0.98 0.59 0.00 0.00 0.00 174.94 175.68 1v9x n ASN 31 N 3.72 0.73 -4.64 3.58 4.13 -1.26 -4.23 115.26 117.29 1v9x n ASN 31 Ca 0.14 0.76 -0.30 0.00 1.68 0.00 0.00 54.58 56.85 1v9x n ASN 31 Cb 0.44 -1.40 0.18 0.00 -1.54 0.00 0.00 39.78 37.46 1v9x n ASN 31 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1v9x s LYS 32 N -2.99 0.60 -0.99 3.52 -2.85 -1.26 -3.60 119.74 112.17 1v9x s LYS 32 Ca 0.76 1.11 0.00 0.00 -1.00 0.00 0.00 55.97 56.84 1v9x s LYS 32 Cb -0.39 -1.71 0.00 0.00 -2.06 0.00 0.00 37.83 33.67 1v9x s LYS 32 CO 0.47 -2.78 0.00 0.39 0.10 0.00 0.00 175.35 173.53 1v9x n GLU 33 N -4.29 -0.82 -4.39 1.78 1.02 0.08 -4.89 120.64 109.12 1v9x n GLU 33 Ca 0.08 0.64 -0.24 0.00 -0.02 0.00 0.00 57.16 57.62 1v9x n GLU 33 Cb 0.54 -4.69 -0.13 0.00 -0.02 0.00 0.00 31.44 27.14 1v9x n GLU 33 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1v9x s ASN 34 N -2.64 2.36 -0.32 1.62 0.01 -1.24 -4.90 114.94 109.83 1v9x s ASN 34 Ca 0.00 -0.61 -0.26 0.00 -0.71 0.00 0.00 52.86 51.28 1v9x s ASN 34 Cb 0.00 -0.15 0.01 0.00 0.41 0.00 0.00 41.25 41.52 1v9x s ASN 34 CO 0.00 0.08 0.94 0.12 -1.51 0.00 0.00 177.10 176.73 1v9x s PHE 35 N -1.03 3.17 0.42 2.20 5.36 -1.26 -1.55 117.98 125.30 1v9x s PHE 35 Ca 0.06 1.00 0.03 0.00 -0.96 0.00 0.00 56.93 57.06 1v9x s PHE 35 Cb -0.09 -3.48 -0.03 0.00 -0.34 0.00 0.00 43.02 39.07 1v9x s PHE 35 CO 0.03 -0.68 0.07 -0.98 -1.46 0.00 0.00 175.22 172.20 1v9x s ARG 36 N 3.33 1.96 -0.03 10.12 1.70 -1.24 -2.98 118.95 131.80 1v9x s ARG 36 Ca 0.39 -2.19 0.03 0.00 -0.47 0.00 0.00 55.73 53.49 1v9x s ARG 36 Cb -0.13 -1.00 0.00 0.00 -0.57 0.00 0.00 34.95 33.25 1v9x s ARG 36 CO 0.14 -0.36 -0.10 -0.51 -1.08 0.00 0.00 175.30 173.39 1v9x s LEU 37 N -3.67 1.77 -0.27 -1.89 1.43 0.91 -4.02 118.68 112.95 1v9x s LEU 37 Ca 0.22 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.13 1v9x s LEU 37 Cb 0.04 -0.62 0.06 0.00 0.03 0.00 0.00 46.19 45.70 1v9x s LEU 37 CO 0.12 0.07 -0.10 -0.83 0.23 0.00 0.00 176.35 175.84 1v9x s GLY 38 N 0.25 1.68 -0.74 -3.19 0.00 -1.07 -0.70 107.32 103.54 1v9x s GLY 38 Ca -0.05 -1.83 -0.27 0.00 0.00 0.00 0.00 44.72 42.58 1v9x s GLY 38 CO 0.01 0.64 1.41 1.25 0.00 0.00 0.00 173.10 176.40 1v9x s LYS 39 N 1.09 3.11 -0.35 2.90 2.20 -1.08 -1.77 119.74 125.84 1v9x s LYS 39 Ca -0.07 -0.16 -0.28 0.00 -0.36 0.00 0.00 55.97 55.09 1v9x s LYS 39 Cb -0.20 -4.33 -0.02 0.00 -1.51 0.00 0.00 37.83 31.77 1v9x s LYS 39 CO -0.05 -2.28 1.81 -0.51 -0.36 0.00 0.00 175.35 173.96 1v9x s LEU 40 N 6.34 3.49 -0.10 5.43 1.43 0.14 -2.79 118.68 132.63 1v9x s LEU 40 Ca 0.42 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.77 1v9x s LEU 40 Cb -0.08 -3.43 -0.02 0.00 0.03 0.00 0.00 46.19 42.68 1v9x s LEU 40 CO 0.14 -1.77 -0.09 0.68 0.23 0.00 0.00 176.35 175.54 1v9x s VAL 41 N 7.10 3.47 -0.46 -1.59 -7.23 -1.26 -4.80 120.40 115.63 1v9x s VAL 41 Ca 0.79 -0.54 -0.13 0.00 -1.81 0.00 0.00 61.98 60.29 1v9x s VAL 41 Cb -0.22 -2.44 0.08 0.00 0.56 0.00 0.00 36.38 34.36 1v9x s VAL 41 CO 0.33 0.56 0.36 -1.10 -0.31 0.00 0.00 175.10 174.93 1v9x s GLN 42 N -0.27 2.86 -0.05 4.82 -1.52 -1.26 -3.81 119.66 120.43 1v9x s GLN 42 Ca 0.03 -1.40 -0.00 0.00 -1.95 0.00 0.00 55.36 52.03 1v9x s GLN 42 Cb -0.13 -4.03 -0.03 0.00 -0.22 0.00 0.00 33.01 28.60 1v9x s GLN 42 CO 0.03 -1.02 -0.05 -1.13 -0.25 0.00 0.00 175.29 172.87 1v9x n SER 43 N 5.11 2.96 -4.47 5.90 3.41 -1.26 -5.06 113.62 120.21 1v9x n SER 43 Ca -0.12 -0.01 -0.29 0.00 -0.26 0.00 0.00 58.87 58.19 1v9x n SER 43 Cb 0.43 -0.10 0.24 0.00 -0.26 0.00 0.00 64.21 64.53 1v9x n SER 43 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1v9x n THR 44 N -2.77 0.00 -0.09 6.66 -2.24 -1.26 -5.00 114.28 109.58 1v9x n THR 44 Ca -0.10 -0.39 -0.15 0.00 -2.27 0.00 0.00 64.05 61.15 1v9x n THR 44 Cb 0.59 -0.96 -0.05 0.00 -2.10 0.00 0.00 70.33 67.82 1v9x n THR 44 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1v9x n HIS 45 N -4.87 0.00 0.00 4.78 -0.00 -1.26 -4.83 115.22 109.04 1v9x n HIS 45 Ca 0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.22 1v9x n HIS 45 Cb 0.54 -0.60 0.00 0.00 -0.12 0.00 0.00 29.99 29.82 1v9x n HIS 45 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1v9x n PHE 46 N -4.25 0.00 -3.55 1.57 3.01 -1.26 -5.01 117.46 107.97 1v9x n PHE 46 Ca -0.25 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.05 1v9x n PHE 46 Cb 0.60 -0.49 -0.06 0.00 -0.01 0.00 0.00 39.48 39.51 1v9x n PHE 46 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1v9x s ASP 47 N -2.60 -0.63 0.00 4.37 1.01 -1.26 -5.05 116.67 112.51 1v9x s ASP 47 Ca 0.00 0.81 0.00 0.00 0.71 0.00 0.00 52.55 54.07 1v9x s ASP 47 Cb 0.00 0.69 0.00 0.00 1.01 0.00 0.00 42.92 44.62 1v9x s ASP 47 CO 0.00 -0.49 0.00 0.61 0.21 0.00 0.00 175.17 175.50 1v9x n GLY 48 N 1.27 3.09 3.45 0.21 0.00 -1.26 -4.93 105.19 107.02 1v9x n GLY 48 Ca -0.17 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 1v9x n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1v9x s ILE 49 N 0.00 2.88 -0.59 -0.61 1.01 -1.26 -4.11 121.20 118.52 1v9x s ILE 49 Ca 0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 1v9x s ILE 49 Cb 0.00 -2.13 0.15 0.00 0.01 0.00 0.00 42.46 40.49 1v9x s ILE 49 CO 0.00 0.54 0.38 -0.04 0.00 0.00 0.00 174.94 175.82 1v9x s MET 50 N -0.86 2.39 -0.39 2.79 -1.94 -1.25 -5.02 119.30 115.02 1v9x s MET 50 Ca 0.12 -2.53 -0.28 0.00 -1.71 0.00 0.00 55.69 51.29 1v9x s MET 50 Cb -0.10 -3.62 -0.01 0.00 2.01 0.00 0.00 34.83 33.10 1v9x s MET 50 CO 0.01 -1.15 1.73 -1.25 -0.01 0.00 0.00 175.02 174.35 1v9x s PRO 51 N -0.07 3.29 -0.66 2.03 0.04 -1.26 -4.14 135.00 134.22 1v9x s PRO 51 Ca 0.17 1.21 -0.26 0.00 0.04 0.00 0.00 61.00 62.15 1v9x s PRO 51 Cb -0.22 -4.19 -0.06 0.00 0.04 0.00 0.00 34.50 30.08 1v9x s PRO 51 CO -0.03 -1.92 2.11 -1.64 0.04 0.00 0.00 177.00 175.56 1v9x s MET 52 N 5.70 2.32 -0.45 4.56 -1.94 -1.12 -4.74 119.30 123.64 1v9x s MET 52 Ca 0.74 0.64 -0.28 0.00 -1.71 0.00 0.00 55.69 55.08 1v9x s MET 52 Cb -0.19 -4.63 0.00 0.00 2.01 0.00 0.00 34.83 32.02 1v9x s MET 52 CO 0.32 -3.25 1.50 -1.58 -0.01 0.00 0.00 175.02 171.99 1v9x s TRP 53 N 10.95 2.23 -0.00 -0.03 0.23 -1.26 -2.63 118.94 128.44 1v9x s TRP 53 Ca 0.80 0.62 0.02 0.00 -2.03 0.00 0.00 56.10 55.50 1v9x s TRP 53 Cb -0.13 -4.29 -0.01 0.00 0.03 0.00 0.00 33.47 29.07 1v9x s TRP 53 CO 0.16 -2.15 -0.06 -0.80 0.96 0.00 0.00 176.95 175.07 1v9x s ASN 54 N 4.65 0.65 0.26 2.95 0.01 0.12 -3.67 114.94 119.92 1v9x s ASN 54 Ca 0.62 -0.13 -0.30 0.00 -0.71 0.00 0.00 52.86 52.34 1v9x s ASN 54 Cb -0.14 -0.06 -0.14 0.00 0.41 0.00 0.00 41.25 41.32 1v9x s ASN 54 CO 0.30 0.04 1.16 1.41 -1.51 0.00 0.00 177.10 178.51 1v9x n HIS 55 N 2.82 1.62 0.19 2.20 8.25 -1.26 -0.06 115.22 128.98 1v9x n HIS 55 Ca -0.14 0.62 0.18 0.00 -0.26 0.00 0.00 57.72 58.13 1v9x n HIS 55 Cb 0.58 -2.32 0.82 0.00 1.12 0.00 0.00 29.99 30.19 1v9x n HIS 55 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1v9x h ALA 56 N 2.79 1.81 0.00 -1.41 0.00 -1.80 0.29 119.26 120.94 1v9x h ALA 56 Ca -0.42 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 1v9x h ALA 56 Cb 1.32 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1v9x h ALA 56 CO 0.66 -0.39 -1.01 1.03 0.00 0.00 0.00 179.25 179.54 1v9x h SER 57 N 0.00 0.00 1.40 0.00 0.87 -1.87 -2.93 113.55 111.01 1v9x h SER 57 Ca 0.10 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.56 1v9x h SER 57 Cb 0.66 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 1v9x h SER 57 CO -0.00 0.22 -0.48 0.00 -0.53 0.00 0.00 176.83 176.03 1v9x h ILE 59 N 0.00 0.85 -0.92 0.00 1.08 -1.47 -3.36 117.51 113.70 1v9x h ILE 59 Ca -0.00 -2.08 0.22 0.00 -0.39 0.00 0.00 64.86 62.60 1v9x h ILE 59 Cb 1.31 2.05 -0.06 0.00 -3.07 0.00 0.00 36.82 37.05 1v9x h ILE 59 CO 0.06 0.29 0.61 -0.07 -0.69 0.00 0.00 178.15 178.35 1v9x h LEU 60 N -1.00 0.34 -1.61 1.44 3.38 -1.65 0.54 115.31 116.74 1v9x h LEU 60 Ca -0.31 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1v9x h LEU 60 Cb 1.23 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1v9x h LEU 60 CO -0.19 0.12 -0.21 0.07 0.09 0.00 0.00 178.44 178.32 1v9x h LYS 61 N 0.33 0.00 0.00 1.13 2.10 -1.71 -3.44 116.57 114.98 1v9x h LYS 61 Ca 0.48 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.88 1v9x h LYS 61 Cb 1.31 0.00 0.11 0.00 -0.90 0.00 0.00 32.23 32.75 1v9x h LYS 61 CO -0.16 0.21 0.18 1.63 -2.00 0.00 0.00 179.45 179.32 1v9x n LYS 62 N -3.89 -1.35 -4.36 0.07 5.02 0.19 -5.10 118.16 108.74 1v9x n LYS 62 Ca -0.02 -1.16 -0.19 0.00 -2.02 0.00 0.00 58.31 54.92 1v9x n LYS 62 Cb 0.30 -0.88 -0.10 0.00 -0.02 0.00 0.00 35.03 34.33 1v9x n LYS 62 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1v9x s THR 63 N -2.53 1.75 -1.66 -0.18 2.01 -1.26 -4.77 115.64 108.99 1v9x s THR 63 Ca 0.44 -2.21 -0.17 0.00 0.31 0.00 0.00 61.69 60.06 1v9x s THR 63 Cb -0.02 -2.08 0.14 0.00 0.01 0.00 0.00 72.50 70.54 1v9x s THR 63 CO 0.32 -0.57 0.79 0.29 -0.69 0.00 0.00 174.62 174.77 1v9x n LYS 64 N -0.40 -3.50 -0.10 4.92 5.02 -1.26 -4.86 118.16 117.97 1v9x n LYS 64 Ca -0.08 0.41 -0.13 0.00 -2.02 0.00 0.00 58.31 56.48 1v9x n LYS 64 Cb 0.61 -5.11 -0.05 0.00 -0.02 0.00 0.00 35.03 30.45 1v9x n LYS 64 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1v9x n GLN 65 N -4.43 0.53 -4.70 1.97 1.13 -1.26 -5.00 117.38 105.62 1v9x n GLN 65 Ca 0.04 0.31 -0.31 0.00 -1.94 0.00 0.00 57.00 55.10 1v9x n GLN 65 Cb 0.51 -1.51 -0.13 0.00 0.11 0.00 0.00 30.24 29.22 1v9x n GLN 65 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1v9x s ILE 66 N -2.66 2.78 -0.20 5.09 1.01 -1.26 -5.03 121.20 120.92 1v9x s ILE 66 Ca -0.28 -1.15 -0.17 0.00 0.00 0.00 0.00 60.65 59.04 1v9x s ILE 66 Cb 0.06 -2.15 -0.20 0.00 0.01 0.00 0.00 42.46 40.18 1v9x s ILE 66 CO 0.41 0.37 0.19 1.17 0.00 0.00 0.00 174.94 177.08 1v9x n LYS 67 N 1.65 0.61 -3.52 2.79 4.81 -1.26 -3.41 118.16 119.82 1v9x n LYS 67 Ca -0.16 0.48 -0.17 0.00 -0.87 0.00 0.00 58.31 57.59 1v9x n LYS 67 Cb 0.52 -1.72 -0.06 0.00 0.02 0.00 0.00 35.03 33.80 1v9x n LYS 67 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1v9x s SER 68 N -6.94 -0.64 0.51 3.14 0.15 -1.26 -2.41 113.70 106.25 1v9x s SER 68 Ca -0.28 0.65 0.32 0.00 0.70 0.00 0.00 55.95 57.34 1v9x s SER 68 Cb 0.07 0.53 1.45 0.00 -1.71 0.00 0.00 66.02 66.36 1v9x s SER 68 CO 0.62 -0.62 1.79 -0.37 1.20 0.00 0.00 173.24 175.86 1v9x h VAL 69 N 2.90 0.43 -0.45 4.45 -1.51 -1.94 0.55 116.25 120.68 1v9x h VAL 69 Ca -0.27 -0.03 0.02 0.00 -1.23 0.00 0.00 66.70 65.19 1v9x h VAL 69 Cb 1.15 0.33 -0.02 0.00 -2.13 0.00 0.00 31.29 30.62 1v9x h VAL 69 CO 0.38 0.02 0.30 -0.78 -1.23 0.00 0.00 177.57 176.26 1v9x h ASP 70 N 0.09 0.45 1.09 4.19 3.58 -2.02 -0.07 116.42 123.73 1v9x h ASP 70 Ca 0.57 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.99 1v9x h ASP 70 Cb 2.10 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 43.04 1v9x h ASP 70 CO -0.08 0.32 -0.12 0.44 -2.88 0.00 0.00 179.24 176.92 1v9x h ASP 71 N 0.53 0.00 -3.28 2.28 5.19 -0.27 -3.42 116.42 117.45 1v9x h ASP 71 Ca 0.18 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 55.99 1v9x h ASP 71 Cb 0.07 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 39.49 1v9x h ASP 71 CO -0.04 0.12 0.49 -0.69 -3.12 0.00 0.00 179.24 176.00 1v9x s VAL 72 N -3.59 4.82 0.57 -1.35 1.01 -0.04 -3.14 120.40 118.67 1v9x s VAL 72 Ca 0.02 1.58 -0.08 0.00 0.00 0.00 0.00 61.98 63.50 1v9x s VAL 72 Cb 0.09 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 1v9x s VAL 72 CO 0.61 -0.09 0.92 -0.70 0.00 0.00 0.00 175.10 175.84 1v9x s GLU 73 N 2.88 3.41 -0.90 2.72 -6.30 0.69 -3.88 118.70 117.31 1v9x s GLU 73 Ca 0.35 0.39 0.00 0.00 -2.50 0.00 0.00 54.97 53.21 1v9x s GLU 73 Cb -0.15 -2.22 0.00 0.00 0.00 0.00 0.00 34.13 31.76 1v9x s GLU 73 CO 0.07 -0.49 0.00 0.41 0.02 0.00 0.00 175.26 175.28 1v9x n GLY 74 N -2.55 0.23 0.21 -1.50 0.00 -1.26 0.11 105.19 100.43 1v9x n GLY 74 Ca 0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.16 1v9x n GLY 74 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1v9x h ILE 75 N 0.00 0.29 0.00 -0.61 2.10 -1.71 -3.05 117.51 114.53 1v9x h ILE 75 Ca -0.20 -1.23 -0.01 0.00 1.08 0.00 0.00 64.86 64.50 1v9x h ILE 75 Cb 0.87 1.99 -0.00 0.00 -1.09 0.00 0.00 36.82 38.58 1v9x h ILE 75 CO 0.27 0.15 -0.04 1.05 -1.08 0.00 0.00 178.15 178.51 1v9x h GLU 76 N 0.00 0.00 0.00 2.19 4.11 -1.88 -3.00 114.58 116.00 1v9x h GLU 76 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1v9x h GLU 76 Cb 0.97 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 1v9x h GLU 76 CO 0.02 0.04 -0.35 1.03 0.07 0.00 0.00 179.01 179.81 1v9x h SER 77 N 0.00 0.00 -4.30 3.06 0.87 -1.86 -3.47 113.55 107.86 1v9x h SER 77 Ca -0.00 0.00 -0.52 0.00 -1.23 0.00 0.00 61.79 60.04 1v9x h SER 77 Cb 0.82 0.00 0.16 0.00 -0.44 0.00 0.00 62.40 62.94 1v9x h SER 77 CO 0.00 0.07 0.28 -0.76 -0.53 0.00 0.00 176.83 175.89 1v9x s LEU 78 N -6.00 2.97 0.38 2.23 1.43 -1.13 -4.97 118.68 113.59 1v9x s LEU 78 Ca 0.04 1.97 -0.26 0.00 -1.03 0.00 0.00 54.13 54.85 1v9x s LEU 78 Cb 0.07 -4.54 -0.09 0.00 0.03 0.00 0.00 46.19 41.66 1v9x s LEU 78 CO 0.71 -2.44 1.22 -0.13 0.23 0.00 0.00 176.35 175.94 1v9x s ARG 79 N -4.79 4.13 0.14 1.70 1.81 -1.26 -4.66 118.95 116.02 1v9x s ARG 79 Ca 0.63 1.97 -0.25 0.00 -1.72 0.00 0.00 55.73 56.36 1v9x s ARG 79 Cb -0.19 -2.80 -0.03 0.00 -0.45 0.00 0.00 34.95 31.47 1v9x s ARG 79 CO 0.56 -0.30 1.33 1.87 -0.68 0.00 0.00 175.30 178.08 1v9x n TRP 80 N 0.30 -0.33 -0.33 -0.53 -0.00 -1.26 0.17 117.44 115.45 1v9x n TRP 80 Ca 0.03 1.07 0.16 0.00 -0.00 0.00 0.00 57.50 58.76 1v9x n TRP 80 Cb 0.45 -0.60 0.39 0.00 -0.00 0.00 0.00 31.31 31.55 1v9x n TRP 80 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 177.69 178.74 1v9x h GLU 81 N 0.00 0.62 0.22 5.87 4.11 -2.00 -0.99 114.58 122.41 1v9x h GLU 81 Ca 0.16 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.54 1v9x h GLU 81 Cb 0.37 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1v9x h GLU 81 CO -0.81 0.41 -0.10 -0.44 0.07 0.00 0.00 179.01 178.13 1v9x h ASP 82 N 0.63 -0.25 -0.77 3.06 5.19 0.14 -2.81 116.42 121.61 1v9x h ASP 82 Ca 0.58 -0.25 0.21 0.00 -0.62 0.00 0.00 57.03 56.95 1v9x h ASP 82 Cb 1.08 0.06 -0.04 0.00 0.18 0.00 0.00 39.33 40.62 1v9x h ASP 82 CO -0.35 0.15 0.55 1.56 -3.12 0.00 0.00 179.24 178.02 1v9x h GLN 83 N -0.69 0.07 -0.30 3.56 4.20 0.20 0.32 115.11 122.47 1v9x h GLN 83 Ca -0.03 -0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.56 1v9x h GLN 83 Cb 0.48 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1v9x h GLN 83 CO 0.05 0.05 -0.27 1.96 -0.67 0.00 0.00 178.83 179.95 1v9x h GLN 84 N 0.07 0.70 -0.49 1.46 1.08 -1.09 -2.89 115.11 113.95 1v9x h GLN 84 Ca 0.37 -0.36 0.14 0.00 -1.45 0.00 0.00 58.65 57.35 1v9x h GLN 84 Cb 1.38 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.80 1v9x h GLN 84 CO -0.03 0.98 0.42 0.87 -0.95 0.00 0.00 178.83 180.12 1v9x h LYS 85 N 0.45 0.00 0.04 1.46 1.57 -0.67 0.32 116.57 119.74 1v9x h LYS 85 Ca 0.05 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1v9x h LYS 85 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1v9x h LYS 85 CO 0.07 0.00 -0.02 0.82 -0.57 0.00 0.00 179.45 179.75 1v9x h ILE 86 N 0.00 0.00 -0.97 1.86 1.08 -1.43 -3.17 117.51 114.88 1v9x h ILE 86 Ca 0.23 -0.30 0.16 0.00 -0.39 0.00 0.00 64.86 64.56 1v9x h ILE 86 Cb 1.08 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.74 1v9x h ILE 86 CO -0.00 0.00 0.61 0.08 -0.69 0.00 0.00 178.15 178.15 1v9x h ARG 87 N -0.36 0.77 0.00 2.37 0.11 -1.36 0.69 114.38 116.61 1v9x h ARG 87 Ca -0.01 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.03 1v9x h ARG 87 Cb 0.04 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 30.95 1v9x h ARG 87 CO 0.01 0.51 0.00 1.63 0.10 0.00 0.00 179.97 182.22 1v9x n LYS 88 N -4.64 0.68 -0.02 0.08 4.76 0.11 -1.54 118.16 117.59 1v9x n LYS 88 Ca 0.20 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.61 1v9x n LYS 88 Cb 0.48 -1.29 -0.02 0.00 -1.84 0.00 0.00 35.03 32.36 1v9x n LYS 88 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 1v9x n TYR 89 N -0.79 0.00 0.09 2.13 9.36 0.22 -3.93 117.16 124.24 1v9x n TYR 89 Ca 0.10 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.26 1v9x n TYR 89 Cb 0.04 -0.15 0.02 0.00 -0.63 0.00 0.00 39.34 38.62 1v9x n TYR 89 CO 0.00 0.00 0.00 -0.39 0.22 0.00 0.00 176.86 176.69 1v9x h VAL 90 N -0.04 1.54 0.05 2.97 -1.51 -0.93 0.36 116.25 118.69 1v9x h VAL 90 Ca -0.09 -2.68 -0.00 0.00 -1.23 0.00 0.00 66.70 62.70 1v9x h VAL 90 Cb 1.13 2.46 0.00 0.00 -2.13 0.00 0.00 31.29 32.75 1v9x h VAL 90 CO -0.03 0.77 -0.03 -0.33 -1.23 0.00 0.00 177.57 176.73 1v9x h GLU 91 N 0.04 -0.07 0.00 5.19 4.39 -1.51 -3.34 114.58 119.28 1v9x h GLU 91 Ca -0.02 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.53 1v9x h GLU 91 Cb 1.44 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 30.08 1v9x h GLU 91 CO 0.11 0.53 -1.42 0.43 -1.16 0.00 0.00 179.01 177.50 1v9x n SER 92 N -4.77 1.93 -0.07 1.42 7.64 -1.25 -4.98 113.62 113.54 1v9x n SER 92 Ca -0.08 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1v9x n SER 92 Cb 0.31 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 1v9x n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v9x n GLY 93 N 1.41 -2.79 3.70 0.23 0.00 0.10 -4.88 105.19 102.96 1v9x n GLY 93 Ca -0.27 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 1v9x n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v9x s ALA 94 N -2.39 3.26 0.00 4.61 0.00 0.31 -4.69 121.76 122.86 1v9x s ALA 94 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.48 1v9x s ALA 94 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1v9x s ALA 94 CO 0.00 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.80 1v9x n GLY 95 N 2.99 4.33 3.71 0.00 0.00 -1.22 -3.46 105.19 111.56 1v9x n GLY 95 Ca 0.07 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 1v9x n GLY 95 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v9x s SER 96 N 0.00 3.52 -0.04 1.61 0.15 -1.01 -4.62 113.70 113.31 1v9x s SER 96 Ca 0.00 1.59 -0.31 0.00 0.70 0.00 0.00 55.95 57.93 1v9x s SER 96 Cb 0.00 -2.26 0.12 0.00 -1.71 0.00 0.00 66.02 62.17 1v9x s SER 96 CO 0.00 -2.63 1.25 0.21 1.20 0.00 0.00 173.24 173.28 1v9x s ASN 97 N -3.33 -0.08 0.02 5.45 3.84 -1.26 -4.59 114.94 114.99 1v9x s ASN 97 Ca 0.63 -0.12 -0.08 0.00 0.21 0.00 0.00 52.86 53.50 1v9x s ASN 97 Cb -0.18 0.18 -0.04 0.00 -0.55 0.00 0.00 41.25 40.66 1v9x s ASN 97 CO 0.57 -0.32 1.12 0.74 -2.79 0.00 0.00 177.10 176.42 1v9x h THR 98 N 2.00 0.00 -5.59 -5.21 2.02 -1.98 -3.46 112.91 100.69 1v9x h THR 98 Ca -0.26 0.00 -0.43 0.00 0.77 0.00 0.00 66.41 66.49 1v9x h THR 98 Cb 1.20 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1v9x h THR 98 CO 0.27 0.00 -0.66 -0.24 0.37 0.00 0.00 175.52 175.26 1v9x n SER 99 N -3.02 -4.94 -3.64 4.18 2.88 -1.26 -4.93 113.62 102.88 1v9x n SER 99 Ca -0.02 -0.53 -0.04 0.00 -1.33 0.00 0.00 58.87 56.94 1v9x n SER 99 Cb 0.10 -3.98 -0.07 0.00 -0.75 0.00 0.00 64.21 59.51 1v9x n SER 99 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1v9x s THR 100 N -3.16 0.00 -0.02 2.46 -1.32 -1.26 -5.17 115.64 107.17 1v9x s THR 100 Ca 0.50 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.98 1v9x s THR 100 Cb -0.25 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.76 1v9x s THR 100 CO 0.62 0.00 0.01 -0.55 -2.21 0.00 0.00 174.62 172.49 1v9x s SER 101 N 0.38 0.15 -0.73 8.08 0.15 -1.26 -5.10 113.70 115.37 1v9x s SER 101 Ca 0.02 0.01 -0.22 0.00 0.70 0.00 0.00 55.95 56.46 1v9x s SER 101 Cb -0.05 -0.08 0.08 0.00 -1.71 0.00 0.00 66.02 64.26 1v9x s SER 101 CO -0.12 -0.08 1.01 0.42 1.20 0.00 0.00 173.24 175.68 1v9x s THR 102 N 0.71 4.39 0.00 6.45 -4.23 -1.26 -4.76 115.64 116.94 1v9x s THR 102 Ca -0.06 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 1v9x s THR 102 Cb -0.09 -4.72 0.00 0.00 1.34 0.00 0.00 72.50 69.03 1v9x s THR 102 CO -0.02 -1.49 0.00 0.61 -0.54 0.00 0.00 174.62 173.19 1v9x n GLY 103 N 5.42 -1.83 0.00 3.99 0.00 -1.26 -5.05 105.19 106.46 1v9x n GLY 103 Ca 0.03 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1v9x n GLY 103 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1v9x n THR 104 N 0.94 0.00 -3.57 2.61 5.66 -1.26 -5.11 114.28 113.56 1v9x n THR 104 Ca 0.00 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 1v9x n THR 104 Cb 0.00 -0.75 -0.04 0.00 -1.55 0.00 0.00 70.33 67.99 1v9x n THR 104 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1v9x s SER 105 N -2.56 -0.29 0.45 1.09 1.04 -1.26 -5.19 113.70 106.99 1v9x s SER 105 Ca 0.00 0.17 0.05 0.00 0.48 0.00 0.00 55.95 56.66 1v9x s SER 105 Cb 0.00 0.26 -0.05 0.00 0.10 0.00 0.00 66.02 66.34 1v9x s SER 105 CO 0.00 -0.36 0.07 0.42 0.98 0.00 0.00 173.24 174.35 1v9x s THR 106 N -1.92 1.80 0.04 2.02 -4.23 -1.26 -5.15 115.64 106.94 1v9x s THR 106 Ca 0.03 -1.90 0.08 0.00 -1.18 0.00 0.00 61.69 58.73 1v9x s THR 106 Cb -0.01 -2.70 -0.03 0.00 1.34 0.00 0.00 72.50 71.11 1v9x s THR 106 CO -0.04 0.00 -0.24 -0.55 -0.54 0.00 0.00 174.62 173.26 1v9x s SER 107 N -3.84 2.86 -0.85 3.99 0.15 -1.26 -4.73 113.70 110.02 1v9x s SER 107 Ca 0.28 -0.54 -0.04 0.00 0.70 0.00 0.00 55.95 56.35 1v9x s SER 107 Cb 0.05 -0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 1v9x s SER 107 CO 0.15 0.23 0.73 -0.24 1.20 0.00 0.00 173.24 175.31 1v9x n SER 108 N 1.91 -3.95 -0.08 5.45 2.88 -1.26 -4.96 113.62 113.61 1v9x n SER 108 Ca -0.17 -0.37 -0.22 0.00 -1.33 0.00 0.00 58.87 56.78 1v9x n SER 108 Cb 0.52 -3.47 -0.12 0.00 -0.75 0.00 0.00 64.21 60.39 1v9x n SER 108 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1v9x n SER 109 N -1.75 1.93 -4.48 -3.46 3.41 -1.26 -4.85 113.62 103.16 1v9x n SER 109 Ca -0.06 0.37 -0.37 0.00 -0.26 0.00 0.00 58.87 58.55 1v9x n SER 109 Cb 0.56 -0.94 -0.12 0.00 -0.26 0.00 0.00 64.21 63.45 1v9x n SER 109 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1v9x s GLY 110 N -5.06 1.80 0.82 5.00 0.00 -1.26 -5.09 107.32 103.53 1v9x s GLY 110 Ca -0.27 -1.10 -0.11 0.00 0.00 0.00 0.00 44.72 43.23 1v9x s GLY 110 CO 0.64 0.53 1.09 2.56 0.00 0.00 0.00 173.10 177.92 1v9x s PRO 111 N 1.58 1.90 -0.44 2.90 0.04 -1.26 -5.00 135.00 134.72 1v9x s PRO 111 Ca 0.06 1.05 -0.17 0.00 0.04 0.00 0.00 61.00 61.98 1v9x s PRO 111 Cb -0.15 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.56 1v9x s PRO 111 CO 0.05 -1.86 0.45 0.45 0.04 0.00 0.00 177.00 176.13 1v9x s SER 112 N -3.40 6.19 -0.19 6.66 0.15 -1.26 -5.02 113.70 116.82 1v9x s SER 112 Ca 0.62 -0.81 -0.09 0.00 0.70 0.00 0.00 55.95 56.37 1v9x s SER 112 Cb -0.17 -2.22 0.08 0.00 -1.71 0.00 0.00 66.02 61.99 1v9x s SER 112 CO 0.56 -0.63 0.44 -0.55 1.20 0.00 0.00 173.24 174.27 1v9x s SER 113 N 2.04 -0.47 0.00 5.45 0.15 -1.26 -5.33 113.70 114.28 1v9x s SER 113 Ca 0.11 1.00 0.00 0.00 0.70 0.00 0.00 55.95 57.76 1v9x s SER 113 Cb -0.18 1.10 0.00 0.00 -1.71 0.00 0.00 66.02 65.22 1v9x s SER 113 CO 0.12 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.96